3LIE
Crystal Structure of the extracellular domain of the putative histidine kinase vpHK1S-Z8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Wavelength(s) | 0.97921 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 78.049, 114.953, 69.624 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.028 - 2.590 |
R-factor | 0.258 |
Rwork | 0.254 |
R-free | 0.32600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.708 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (1.3.1) |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 5.600 | 2.600 |
Rmerge | 0.077 | 0.072 | 0.355 |
Number of reflections | 19533 | ||
<I/σ(I)> | 14.2 | ||
Completeness [%] | 97.7 | 97.1 | 95.9 |
Redundancy | 4.2 | 4.8 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 2M NaCl, 0.2M MgCl, 0.1M Tris, pH 7.0, vapor diffusion, temperature 293K |